ethanedioic acid; 2-(pentan-2-ylamino)-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: ethanedioic acid; 2-(pentan-2-ylamino)-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(1-methylbutylamino)-N-(2-phenylsulfanylphenyl)acetamide; oxalic acid CAS Name: oxalic acid; 2-(pentan-2-ylamino)-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: oxalic acid; 2-(pentan-2-ylamino)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(1-methylbutylamino)-N-[2-(phenylthio)phenyl]acetamide; oxalic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC(C)NCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2OS.C2H2O4/c1-3-9-15(2)20-14-19(22)21-17-12-7-8-13-18(17)23-16-10-5-4-6-11-16;3-1(4)2(5)6/h4-8,10-13,15,20H,3,9,14H2,1-2H3,(H,21,22);(H,3,4)(H,5,6)